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SMILES: CCc1cc2c(ncnc2s1)N1CCN(CC1)C1=NCC(C)(C)S1

InChI Key: InChIKey=PLPPLEOZEGMVKB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 152230   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Menin


(Homo sapiens (Human))
BDBM152230
PNG
(US8993552, 65)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(CC1)C1=NCC(C)(C)S1 |t:20|
Show InChI InChI=1S/C17H23N5S2/c1-4-12-9-13-14(19-11-20-15(13)23-12)21-5-7-22(8-6-21)16-18-10-17(2,3)24-16/h9,11H,4-8,10H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibition of N-terminal thioredoxin His6-tagged full-length human menin expressed in Escherichia coli Rosetta (DE3) cells assessed as reduction in m...


J Med Chem 58: 7465-74 (2015)


BindingDB Entry DOI: 10.7270/Q25H7J2H
More data for this
Ligand-Target Pair
Menin


(Homo sapiens (Human))
BDBM152230
PNG
(US8993552, 65)
Show SMILES CCc1cc2c(ncnc2s1)N1CCN(CC1)C1=NCC(C)(C)S1 |t:20|
Show InChI InChI=1S/C17H23N5S2/c1-4-12-9-13-14(19-11-20-15(13)23-12)21-5-7-22(8-6-21)16-18-10-17(2,3)24-16/h9,11H,4-8,10H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 1.20E+3n/an/an/an/an/an/a



The Regents of The University of Michigan; University of Virginia Patent Foundation

US Patent


Assay Description
NMR spectroscopy validation of lead compounds. In embodiments of the present invention, and during development thereof, NMR spectroscopy: saturation ...


US Patent US8993552 (2015)


BindingDB Entry DOI: 10.7270/Q2V123HF
More data for this
Ligand-Target Pair